(phenylmethyl) 1-[[3-(4-carbamothioylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[[3-(4-carbamothioylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylate Openeye Name: benzyl 1-[3-(4-carbamothioylphenyl)-2-oxo-oxazolidine-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-carbamothioylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[3-(4-carbamothioylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-3-(4-thiocarbamoylphenyl)oxazolidine-5-carbonyl]isonipecotic acid benzyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)C3CN(C(=O)O3)C4=CC=C(C=C4)C(=S)N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)C3CN(C(=O)O3)C4=CC=C(C=C4)C(=S)N

InChI

InChI=1S/C24H25N3O5S/c25-21(33)17-6-8-19(9-7-17)27-14-20(32-24(27)30)22(28)26-12-10-18(11-13-26)23(29)31-15-16-4-2-1-3-5-16/h1-9,18,20H,10-15H2,(H2,25,33)